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Hydrogen bonding of trialkyl-substituted urea in organic environment
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SYSNO ASEP 0619178 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Hydrogen bonding of trialkyl-substituted urea in organic environment Author(s) Morávková, Zuzana (UMCH-V) RID, ORCID
Podešva, Jiří (UMCH-V) RID
Shabikova, Valeriia (UMCH-V)
Abbrent, Sabina (UMCH-V) RID, ORCID
Dušková-Smrčková, Miroslava (UMCH-V) RID, ORCIDArticle number 1410 Source Title Molecules. - : MDPI - ISSN 1420-3049
Roč. 30, č. 7 (2025)Number of pages 15 s. Language eng - English Country CH - Switzerland Keywords urea ; IR ; H-bonding OECD category Organic chemistry R&D Projects EH22_008/0004607 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) Method of publishing Open access Institutional support UMCH-V - RVO:61389013 UT WOS 001463943500001 EID SCOPUS 105002402022 DOI https://doi.org/10.3390/molecules30071410 Annotation Urea groups appear in many biomolecules and polymers. They have a significant impact on the properties of the materials because of their inherent strength and for their ability to participate in hydrogen bonds. Typically, in classical urea-based polymer materials, the urea groups occur in their N,N′-disubstituted state. Recently, bis-aspartates have been introduced as a novel type of hindered amine resins providing, upon crosslinking with (poly)isocyanates, the polyurea–polyaspartate thermosets (PU-ASPE) for coatings, sealants, polyelectrolytes, and other applications. These materials contain N,N′N′-trisubstituted urea linkages in their structures. However, the infrared (IR) characterization of trisubstituted urea groups has not been documented in sufficient detail. Consequently, studies on the structure of aspartate-based polyurea materials often rely on data from N,N′-disubstituted ureas, which can lead to inaccurate conclusions. This study presents a detailed evaluation of the possible urea H-bonding states, focusing on the difference between the di- and trisubstituted species. Particularly, the attributions of the IR spectra to urea-based hydrogen bonding states are presented both in neat materials and their solutions. To systematize this study, we initially focus on a simple trisubstituted urea model system, tributyl urea (3BUA), and compare its spectral response with disubstituted N-butyl-N′-cyclohexyl urea (1B1CHUA) and trisubstituted N-butyl-N′,N′-dicyclohexyl urea (1B2CHUA), to elucidate their hydrogen-bonding fingerprints. This research provides a thorough understanding of the IR response of the di- and trisubstituted urea species and their structural characteristics in urea-containing materials. Workplace Institute of Macromolecular Chemistry Contact Eva Čechová, cechova@imc.cas.cz ; Tel.: 296 809 358 Year of Publishing 2026 Electronic address https://www.mdpi.com/1420-3049/30/7/1410
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